1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C15H20N4O3 — CID 51084955

IUPAC1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCOc1ccc(C(C)NC(=O)NCc2ccn[nH]2)cc1OC
InChIInChI=1S/C15H20N4O3/c1-10(11-4-5-13(21-2)14(8-11)22-3)18-15(20)16-9-12-6-7-17-19-12/h4-8,10H,9H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyDZPWZYIXRQEUGW-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.99
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51084955) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51084955
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCOc1ccc(C(C)NC(=O)NCc2ccn[nH]2)cc1OC
InChIInChI=1S/C15H20N4O3/c1-10(11-4-5-13(21-2)14(8-11)22-3)18-15(20)16-9-12-6-7-17-19-12/h4-8,10H,9H2,1-3H3,(H,17,19)(H2,16,18,20)
InChIKeyDZPWZYIXRQEUGW-UHFFFAOYSA-N
XLogP1.99
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94120512
2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61284476
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
1-[1-(4-tert-butylphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 60541277
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110162
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94177078
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 55792466
1-[2-(4-bromophenyl)ethyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108902279
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
1-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]urea
CID 52512412

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51084955) is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is COc1ccc(C(C)NC(=O)NCc2ccn[nH]2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is DZPWZYIXRQEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10(11-4-5-13(21-2)14(8-11)22-3)18-15(20)16-9-12-6-7-17-19-12/h4-8,10H,9H2,1-3H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 304.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51084955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).